Geometry & MOs

Info

ID:	80499
PubChem CID:	49834779
Reduced:	F2O4N5H17C20 (1)
Stoich.:	A2B4C5D17E20 (1)
Weight, g/mol:	518.066502
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	4.84
IP(EA), eV:	-9.12(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(7-amino-4-oxo-6-sulfo-2,3-dihydro-1H-cyclopenta[c]chromen-1-yl)-3-sulfopropanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)CN2N=CC(=N2)NC(=O)C3=C(OC=N3)C4=CC(=CC=C4)OC)(F)F

DOS

IR

Vibrations